SCHEMBL754937

SCHEMBL754937

O=C(c1ccc(Cc2ccc(F)cc2)o1)c1occ(-c2ccccc2)c(=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
POLB P06746 3/20 0.42
ALOX12 P18054 3/20 0.37
ALOX15 P16050 2/20 0.37
PTGER2 P43116 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
RECQL P46063 1/20 0.34
MEN1 O00255 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL757246 0.84 POLB (0.38) ALDH1A1POLBPTGER2SMN1; SMN2MAPT
SCHEMBL752919 0.82 POLB (0.37) ALDH1A1POLBNPSR1MAPTLMNA
SCHEMBL10290778 0.81 ALDH1A1 (0.36) ALDH1A1POLBALOX12PTGER2SMN1; SMN2
SCHEMBL755830 0.76 MAPT (0.43) ALDH1A1POLBALOX15KDM4ENPC1
SCHEMBL755341 0.76 MMP1 (0.40) ALDH1A1POLBKDM4ENPSR1MAPT
SCHEMBL755271 0.72 PTGER1 (0.38) ALDH1A1POLBSMN1; SMN2HPGDNPC1
SCHEMBL753088 0.71 POLB (0.38) ALDH1A1POLBNPSR1MAPTLMNA
SCHEMBL755559 0.71 MMP3 (0.47) ALDH1A1POLBSMN1; SMN2KDM4EHPGD
SCHEMBL755446 0.71 TEAD4 (0.42) ALDH1A1POLBKDM4EGAAMAPT
Aniline SCHEMBL752234 0.70 ALDH1A1 (0.38) ALDH1A1POLBKDM4EMAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
CN-101513402-A Antiviral agent SHIONOGI & CO (JP) 2009-08-26 CN disclosed
CN-100491349-C Antiviral agent SHIONOGI & CO (JP) 2009-05-27 CN disclosed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 CN disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT ALDH1A1 658/4885POLB 89/4885ALOX12 3056/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885POLB 107/4885ALOX12 3765/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885POLB 107/4885ALOX12 3765/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.